Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 2PEX5N7DQ4

Structure

InChI Key GFPPXZDRVCSVNR-UHFFFAOYSA-N
Smile Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F
InChI
InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17F3N2O4S
Molecular Weight 426.42
AlogP 3.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 89.26
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST G protein-coupled receptor 44 antagonist PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 3 D001249 ClinicalTrials
Nasal Polyps 3 D009298 ClinicalTrials
Rhinitis, Allergic, Seasonal 2 D006255 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Eosinophilia 2 D004802 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3137332
DrugBank DB12011
FDA SRS 2PEX5N7DQ4
Guide to Pharmacology 8995
PDB FSY
SureChEMBL SCHEMBL1940595
ZINC ZINC000043101772